ethyl 5-(2-methylpropyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(2-methylpropyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-isobutyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(2-methylpropyl)-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-methylpropyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-isobutyl-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)CC(C)C

InChI

InChI=1S/C16H20N2O2/c1-4-20-16(19)14-11-17-18(15(14)10-12(2)3)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3